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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:23 UTC
Update Date2025-03-25 00:56:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218416
Frequency0.5
Structure
Chemical FormulaC11H17N3
Molecular Mass191.1422
SMILESCc1cnc(C2CCCN2C)c(C)n1
InChI KeyHESKYMOTCBKXLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • pyrazines
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aralkylamine
  • pyrazine
  • organopnictogen compound
  • hydrocarbon derivative
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound